1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine

C11H14F3N5 — CID 66011374

IUPAC1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCC(C)c1nn(C)c(-n2ccc(C(F)(F)F)n2)c1N
InChIInChI=1S/C11H14F3N5/c1-6(2)9-8(15)10(18(3)17-9)19-5-4-7(16-19)11(12,13)14/h4-6H,15H2,1-3H3
InChIKeyNWCQCXNLBOGOCW-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.33
Rot. Bonds2

About 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine

1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (PubChem CID 66011374) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
PubChem CID66011374
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
SMILESCC(C)c1nn(C)c(-n2ccc(C(F)(F)F)n2)c1N
InChIInChI=1S/C11H14F3N5/c1-6(2)9-8(15)10(18(3)17-9)19-5-4-7(16-19)11(12,13)14/h4-6H,15H2,1-3H3
InChIKeyNWCQCXNLBOGOCW-UHFFFAOYSA-N
XLogP2.33
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine (CID 66011374) is 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is CC(C)c1nn(C)c(-n2ccc(C(F)(F)F)n2)c1N.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
The InChIKey is NWCQCXNLBOGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-6(2)9-8(15)10(18(3)17-9)19-5-4-7(16-19)11(12,13)14/h4-6H,15H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine?
1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine has a molecular weight of 273.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine is sourced from PubChem (CID 66011374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).